Modulations of a Metal–Ligand Interaction and Photophysical Behaviors by Hückel–Möbius Aromatic Switching

2021 ◽  
Author(s):  
Jinseok Kim ◽  
Juwon Oh ◽  
Seongchul Park ◽  
Tomoki Yoneda ◽  
Atsuhiro Osuka ◽  
...  
Keyword(s):  
Ligand Interaction ◽  
Metal Ligand

Metal–ligand interaction of Ti–C6H6 complex size-selected by a 2-m long electrostatic hexapole field

2003 ◽  
Vol 369 (1-2) ◽  
pp. 55-59 ◽  
Author(s):  
Kohei Imura ◽  
Hiroshi Ohoyama ◽  
Toshio Kasai
Keyword(s):  
Ligand Interaction ◽  
Metal Ligand

Hapticity of asymmetric rhodium-allyl compounds in the light of real-space bonding indicators

2018 ◽  
Vol 233 (9-10) ◽  
pp. 615-626
Author(s):  
Stefan Mebs ◽  
Sabrina Imke Kalläne ◽  
Thomas Braun
Keyword(s):  
Real Space ◽  
Molecular Structures ◽  
Dft Study ◽  
Interaction Patterns ◽  
Ligand Interaction ◽  
Complex Metal ◽  
Allyl Compounds ◽  
Back Donation ◽  
Metal Ligand

Abstract Rhodium boryl complexes are valuable catalysts for hydro- or diboration reactions of alkenes, but can also react with ketones (R2C=O) and imines (R2C=NR′) giving rise to insertion products having formally Rh–R2C–O/NR′–B linkages. The resulting molecular structures, however, may show complex metal–ligand and ligand–ligand interaction patterns with often unclear metal–ligand connectivities (hapticities, ηn). In order to assign the correct hapticity in a set of asymmetric rhodium-allyl compounds with molecular structures indicating η1−5 bonding, a comprehensive DFT study was conducted. The study comprises determination of a variety of real-space bonding indicators derived from computed electron and pair densities according to the AIM, ELI-D, NCI, and DORI topological and surface approaches, which uncover the metal–ligand connectivties and suggest an asymmetric ligand–metal donation/metal–ligand back-donation framework according to the Dewar–Chatt–Duncanson model.

Insight of the Metal–Ligand Interaction in f‐Element Complexes by Paramagnetic NMR Spectroscopy

2019 ◽  
Vol 25 (17) ◽  
pp. 4435-4451 ◽  
Author(s):  
Matthieu Autillo ◽  
Laetitia Guerin ◽  
Thomas Dumas ◽  
Mikhail S. Grigoriev ◽  
Alexandre M. Fedoseev ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Paramagnetic Nmr ◽  
Ligand Interaction ◽  
Metal Ligand

Cobalt(ii) ions detection using carbon dots as an sensitive and selective fluorescent probe

RSC Advances ◽  
2016 ◽  
Vol 6 (72) ◽  
pp. 67481-67487 ◽  
Author(s):  
Depeng Kong ◽  
Fanyong Yan ◽  
Ziyi Han ◽  
Jinxia Xu ◽  
Xingfei Guo ◽  
...  
Keyword(s):  
Fluorescent Probe ◽  
Carbon Dots ◽  
Fluorescent Detection ◽  
Ligand Interaction ◽  
Metal Ligand

Carbon dots were explored for fluorescent detection of Co2+ through metal–ligand interaction. Moreover, the quenched fluorescence can be turned on with the addition of biothiols, which demonstrates the possible mechanism.

A theoretical search on metal–ligand interaction mechanism in corrosion of some imidazolidine derivatives

2003 ◽  
Vol 626 (1-3) ◽  
pp. 179-186 ◽  
Author(s):  
C. Öğretir ◽  
S. Çalış ◽  
G. Bereket ◽  
H. Berber
Keyword(s):  
Interaction Mechanism ◽  
Ligand Interaction ◽  
Metal Ligand

The effect of the crystal environment on the metal–ligand interaction and the ligand field spectrum of CrF3−6

1992 ◽  
Vol 96 (6) ◽  
pp. 4163-4170 ◽  
Author(s):  
K. Pierloot ◽  
E. Van Praet ◽  
L. G. Vanquickenborne
Keyword(s):  
Ligand Field ◽  
Ligand Interaction ◽  
Field Spectrum ◽  
Metal Ligand

Mono- and poly-ligated complexes of Zn2+: Anab initio analysis of the metal-ligand interaction energy

1995 ◽  
Vol 16 (7) ◽  
pp. 843-855 ◽  
Author(s):  
Nohad Gresh ◽  
Walter J. Stevens ◽  
Morris Krauss
Keyword(s):  
Interaction Energy ◽  
Ligand Interaction ◽  
Metal Ligand

scholarly journals Excellent Toughening of 2,6-Diaminopyridine Derived Poly (Urethane Urea) via Dynamic Cross-Linkages and Interfering with Hydrogen Bonding of Urea Groups from Partially Coordinated Ligands

Polymers ◽  
2019 ◽  
Vol 11 (8) ◽  
pp. 1320 ◽  
Author(s):  
Sun ◽  
Guo ◽  
Zhang ◽  
Li ◽  
Liu ◽  
...  
Keyword(s):  
Tensile Strength ◽  
Hydrogen Bonding ◽  
Thermoplastic Polyurethane ◽  
Tensile Tests ◽  
Ligand Interaction ◽  
Chain Flexibility ◽  
Pyridine Moiety ◽  
Hard Segments ◽  
Poly Propylene ◽  
Metal Ligand

Conventional approaches to synthesize thermoplastic polyurethane (TPU) with excellent robustness are limited by a competing relationship between soft and hard segments for tuning mechanical properties in terms of chain flexibility and micro-phase separation. Herein, we present a facile and effective way of simultaneously improving the tensile strength, elongation, and toughness by constructing dynamic cross-linkages from metal-ligand interaction between Zn2+ and pyridine moiety in backbone of poly(urethane urea) (PUU) derived from 2,6-diaminopyridine and poly(propylene glycol). It was found that a Zn2+/pyridine ratio of 1:4 is the most effective for improving robustness. Specifically, tensile strength, elongation, and toughness could be remarkably increased to 16.0 MPa, 1286%, and 89.3 MJ/m3 with 226%, 29%, and 185% increments compared to uncomplexed PUU, respectively. Results from UV-vis, Fourier transform infrared spectroscopy (FTIR), cyclic tensile tests, and stress relaxation reveal that metal-ligand interaction significantly interferes with the hydrogen bonding of urea groups, thus leading to weakening of stiffness. Furthermore, half of vacant ligands enable dynamic complexation during stretching, which consequently ensures constant noncovalent cross-linkages for constraining mutual chain sliding, contributing to simultaneous improvement of tensile strength, elongation, and toughness. This work provides a promising approach for designing TPU with excellent robustness.

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